N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2,2,2-trifluoroethylsulfanyl)aniline

C15H12F3N3O2S — CID 55551771

IUPACN-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2,2,2-trifluoroethylsulfanyl)aniline
SMILESFC(F)(F)CSc1ccccc1NCc1nc(-c2ccco2)no1
InChIInChI=1S/C15H12F3N3O2S/c16-15(17,18)9-24-12-6-2-1-4-10(12)19-8-13-20-14(21-23-13)11-5-3-7-22-11/h1-7,19H,8-9H2
InChIKeyLGGKTQSRMPAZME-UHFFFAOYSA-N
MW355.34 g/mol
LogP4.60
Rot. Bonds6

About N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2,2,2-trifluoroethylsulfanyl)aniline

N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2,2,2-trifluoroethylsulfanyl)aniline (PubChem CID 55551771) has the molecular formula C15H12F3N3O2S and a molecular weight of 355.34 g/mol. Its IUPAC name is N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2,2,2-trifluoroethylsulfanyl)aniline.

Molecular Properties

Compound NameN-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2,2,2-trifluoroethylsulfanyl)aniline
PubChem CID55551771
Molecular FormulaC15H12F3N3O2S
Molecular Weight355.34 g/mol
Exact Mass355.06
IUPAC NameN-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2,2,2-trifluoroethylsulfanyl)aniline
SMILESFC(F)(F)CSc1ccccc1NCc1nc(-c2ccco2)no1
InChIInChI=1S/C15H12F3N3O2S/c16-15(17,18)9-24-12-6-2-1-4-10(12)19-8-13-20-14(21-23-13)11-5-3-7-22-11/h1-7,19H,8-9H2
InChIKeyLGGKTQSRMPAZME-UHFFFAOYSA-N
XLogP4.60
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.34
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2,2,2-trifluoroethylsulfanyl)aniline with MolForge

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Related Compounds

3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]propanamide
CID 36866154
3,3,3-trifluoro-2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]-2-methylpropanoic acid
CID 79789396
4-(difluoromethoxy)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 34067149
N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-dihydroacenaphthylen-5-amine
CID 134019621
N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentanamine
CID 62716647
N-[(2-methylphenyl)methyl]-2-(2,2,2-trifluoroethylsulfanyl)aniline
CID 43426079
4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]benzonitrile
CID 47153889
1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N,3,3-trimethylbutan-2-amine
CID 63352296
N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxydibenzofuran-3-amine
CID 134019628
N-methyl-2-(2,2,2-trifluoroethylsulfanyl)aniline
CID 63091072
8-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]-2,2-dimethyl-3,4-dihydrochromen-4-ol
CID 138020740
N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 90563615

Frequently Asked Questions

What is the IUPAC name of N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2,2,2-trifluoroethylsulfanyl)aniline?
The IUPAC name of N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2,2,2-trifluoroethylsulfanyl)aniline (CID 55551771) is N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2,2,2-trifluoroethylsulfanyl)aniline.
What is the SMILES notation for N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2,2,2-trifluoroethylsulfanyl)aniline?
The canonical SMILES for N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2,2,2-trifluoroethylsulfanyl)aniline is FC(F)(F)CSc1ccccc1NCc1nc(-c2ccco2)no1.
What is the InChIKey of N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2,2,2-trifluoroethylsulfanyl)aniline?
The InChIKey is LGGKTQSRMPAZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O2S/c16-15(17,18)9-24-12-6-2-1-4-10(12)19-8-13-20-14(21-23-13)11-5-3-7-22-11/h1-7,19H,8-9H2.
What are the key properties of N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2,2,2-trifluoroethylsulfanyl)aniline?
N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2,2,2-trifluoroethylsulfanyl)aniline has a molecular weight of 355.34 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2,2,2-trifluoroethylsulfanyl)aniline is sourced from PubChem (CID 55551771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).